4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol

C10H11ClF2O — CID 118092077

IUPAC4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol
SMILESCc1cc(Cl)c(C(C)C(F)F)cc1O
InChIInChI=1S/C10H11ClF2O/c1-5-3-8(11)7(4-9(5)14)6(2)10(12)13/h3-4,6,10,14H,1-2H3
InChIKeyVXOQTAORNSVNJO-UHFFFAOYSA-N
MW220.65 g/mol
LogP3.72
Rot. Bonds2

About 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol

4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol (PubChem CID 118092077) has the molecular formula C10H11ClF2O and a molecular weight of 220.65 g/mol. Its IUPAC name is 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol.

Molecular Properties

Compound Name4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol
PubChem CID118092077
Molecular FormulaC10H11ClF2O
Molecular Weight220.65 g/mol
Exact Mass220.05
IUPAC Name4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol
SMILESCc1cc(Cl)c(C(C)C(F)F)cc1O
InChIInChI=1S/C10H11ClF2O/c1-5-3-8(11)7(4-9(5)14)6(2)10(12)13/h3-4,6,10,14H,1-2H3
InChIKeyVXOQTAORNSVNJO-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.65
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-(difluoromethyl)-2-methylphenol;ethane
CID 163241199
2-chloro-4-methyl-5-propan-2-ylphenol
CID 154092490
4-fluoro-5-(1-hydroxyethyl)-2-methylphenol
CID 117276801
ethane;4-fluoro-2-methyl-5-propan-2-ylphenol
CID 145193990
4-chloro-2-methyl-5-propylphenol
CID 69382890
1-amino-1-(2-chloro-5-fluoro-4-methylphenyl)propan-2-ol
CID 116859639
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
4-chloro-5-methoxy-2-methylphenol
CID 21341377
4-(1,1-difluoropropan-2-ylamino)-2,5-dimethylphenol
CID 106953882
1-(2-chloro-4-fluoro-5-methylphenyl)-2,2-difluoroethanol
CID 104632767
1-(2-chloro-4-hydroxy-5-methylphenyl)-2-methylpropan-1-one
CID 121321009
2,5-dichloro-4-(difluoromethyl)phenol
CID 119008857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol?
The IUPAC name of 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol (CID 118092077) is 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol.
What is the SMILES notation for 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol?
The canonical SMILES for 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol is Cc1cc(Cl)c(C(C)C(F)F)cc1O.
What is the InChIKey of 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol?
The InChIKey is VXOQTAORNSVNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2O/c1-5-3-8(11)7(4-9(5)14)6(2)10(12)13/h3-4,6,10,14H,1-2H3.
What are the key properties of 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol?
4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol has a molecular weight of 220.65 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1,1-difluoropropan-2-yl)-2-methylphenol is sourced from PubChem (CID 118092077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).